Mol:FL5FGLNS0012

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Copyright: ARM project http://www.metabolome.jp/
 31 33  0  0  0  0  0  0  0  0999 V2000
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   -2.2408   -1.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.1121   -2.6336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4795   -2.7451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3887   -1.9840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0930   -0.5539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4992   -2.9981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6017   -3.9929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7536   -4.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2966   -0.9528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
  6 20  1  0  0  0  0
 20 21  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
  8 24  1  0  0  0  0
 24 25  1  0  0  0  0
 15 26  1  0  0  0  0
 26 27  1  0  0  0  0
 14 28  1  0  0  0  0
 28 29  1  0  0  0  0
  2 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  STY  1   6 SUP
M  SLB  1   6   6
M  SAL   6  2  30  31
M  SBL   6  1  32
M  SMT   6  OCH3
M  SVB   6 32   -2.9555   -0.5453
M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  2  28  29
M  SBL   5  1  30
M  SMT   5  OCH3
M  SVB   5 30    1.8838    0.1204
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  26  27
M  SBL   4  1  28
M  SMT   4  OCH3
M  SVB   4 28     2.241    1.3086
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  24  25
M  SBL   3  1  26
M  SMT   3  OCH3
M  SVB   3 26     0.183    -0.843
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  22  23
M  SBL   2  1  24
M  SMT   2  OCH3
M  SVB   2 24     0.183    1.6001
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  20  21
M  SBL   1  1  22
M  SMT   1  OCH3
M  SVB   1 22   -1.4067    0.8998
S  SKP  8
ID	FL5FGLNS0012
KNApSAcK_ID	C00004856
NAME	5,7-Dihydroxy-3,6,8,2',4',5'-hexamethoxyflavone
CAS_RN	113744-04-0
FORMULA	C21H22O10
EXACTMASS	434.121296924
AVERAGEMASS	434.39338
SMILES	COc(c1)c(C(O3)=C(C(c(c32)c(c(c(O)c2OC)OC)O)=O)OC)cc(OC)c1OC
M  END

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